SCHEMBL6963675

SCHEMBL6963675

CC(=O)c1sc2ccc(F)cc2c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 3/20 0.46
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CASP3 P42574 2/20 0.43
BCKDK O14874 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2893771 0.87 GPR35 (0.58) CMA1RAB9ABCKDKNPSR1GPR35
SCHEMBL14293108 0.83 BCKDK (0.58) RAB9ANPC1KDM4ECASP3BCKDK
SCHEMBL4342850 0.83 CMA1 (0.41) CMA1RAB9AKDM4ECASP3BCKDK
SCHEMBL31126911 0.83 TRPM8 (0.42) CMA1RAB9AKDM4ECASP3BCKDK
SCHEMBL121696 0.80 MAPT (0.50) CMA1RAB9AKDM4EBCKDKALDH1A1
SCHEMBL5094416 0.80 PFKFB3 (0.43) RAB9ANPC1KDM4EMEN1ALDH1A1
SCHEMBL6964199 0.79 CXCR2 (0.42) CMA1RAB9AKDM4ECASP3BCKDK
SCHEMBL13709524 0.79 PLAU (0.40) CMA1BCKDKGPR35F10PTGDR2
SCHEMBL12894484 0.78 PFKFB3 (0.47) RAB9ANPC1KDM4EMEN1ALDH1A1
SCHEMBL5102909 0.76 EDNRA (0.43) RAB9ANPC1KDM4EALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0974584-B1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-15 EP disclosed
US-6420375-B1 ANTITUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-0974584-A1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-01-26 EP disclosed